REMARK  Name = BDB016339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.639   0.079  -1.190  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -0.727   0.304  -0.810  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.174  -0.331   0.370  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.387  -0.472   1.003  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.340   0.193   1.065  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.579  -0.201   0.294  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -3.887   0.833  -0.738  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -2.927   1.311  -1.567  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -3.333   1.939  -2.250  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.043   1.240  -0.890  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.376  -0.427   2.466  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -1.544   1.057  -1.688  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -0.970   1.651  -2.832  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.369   1.472  -3.159  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        1.164   0.678  -2.349  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        2.458  -0.245   0.544  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1        1.548  -0.781  -0.398  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        1.504  -2.173  -0.588  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        2.347  -3.005   0.137  0.00  0.00    +0.124 A 
ATOM     20  F   LIG    1        2.295  -4.329  -0.055  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.243  -2.483   1.059  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        3.299  -1.103   1.265  0.00  0.00    +0.049 A 
BRANCH  16  24
ATOM     23  C   LIG    1        3.372   1.703   1.588  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        2.437   1.119   0.691  0.00  0.00    -0.494 OA
ENDBRANCH  16  24
ENDBRANCH   1  17
TORSDOF 2